CID 15954784

Schembl10505431

Structural Information

Molecular Formula
C19H25N5O2
SMILES
CC1=NOC(=C1)CCCCCCCOC2=CC=C(C=C2)C3=NN=NN3C
InChI
InChI=1S/C19H25N5O2/c1-15-14-18(26-21-15)8-6-4-3-5-7-13-25-17-11-9-16(10-12-17)19-20-22-23-24(19)2/h9-12,14H,3-8,13H2,1-2H3
InChIKey
AKSDHWRATAIKOQ-UHFFFAOYSA-N
Compound name
3-methyl-5-[7-[4-(1-methyltetrazol-5-yl)phenoxy]heptyl]-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

355.20084 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.20812 184.5
[M+Na]+ 378.19006 193.5
[M-H]- 354.19356 189.0
[M+NH4]+ 373.23466 192.8
[M+K]+ 394.16400 189.3
[M+H-H2O]+ 338.19810 172.8
[M+HCOO]- 400.19904 204.0
[M+CH3COO]- 414.21469 194.5
[M+Na-2H]- 376.17551 185.2
[M]+ 355.20029 192.5
[M]- 355.20139 192.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe